⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20007667 | 1.00 | — | — | |
| SCHEMBL23613901 | 1.00 | — | — | |
| SCHEMBL18696458 | 0.76 | — | — | |
| SCHEMBL31692030 | 0.73 | — | — | |
| SCHEMBL14196260 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL30195454 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4847290 | 0.71 | — | — | |
| SCHEMBL27449814 | 0.70 | — | — | |
| SCHEMBL6283902 | 0.62 | — | — | |
| SCHEMBL3251296 | 0.62 | OPRM1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018055524-A1 | TRPV4 ANTAGONISTS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2018-03-29 | — | — | WO | disclosed |